Dataset

13C nuclear magnetic resonance spectroscopy (13C NMR)

Chemical Info

InChI	InChI=1S/C39H32OP2.C12H11N2.Cu/c1-39(2)33-25-15-27-35(41(29-17-7-3-8-18-29)30-19-9-4-10-20-30)37(33)40-38-34(39)26-16-28-36(38)42(31-21-11-5-12-22-31)32-23-13-6-14-24-32;1-10-4-6-11(7-5-10)14-9-12-3-2-8-13-12;/h3-28H,1-2H3;2-9H,1H3;/q;-1;+1/b;14-9+;
SMILES	CC1(C)c2cccc(c2Oc2c1cccc2P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.Cc1ccc(cc1)/N=C/c1cccn1[Cu]
InChI Key	MHXCDLXKIQSKSW-WNLPKAFNSA-N
Exact Mass	825.393 g/mol

Data and Resources

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Metadata Information

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• Measurement
• Molecule Data-Sources

Field	Value
DOI	10.14272/MHXCDLXKIQSKSW-WNLPKAFNSA-N/CHMO0000595
License URL
Source	https://www.chemotion-repository.net/inchikey/MHXCDLXKIQSKSW-WNLPKAFNSA-N/CHMO0000595
Version
Author	Valentina Ferraro
Maintainer	Chemotion Repository
Language	english
MetadataCreated	2024-09-08T03:16:32.283348
MetadataModified	2024-09-23T09:22:48.483348
MetadataPublished	2024-04-17

Field	Value
Measurement Technique	13C nuclear magnetic resonance spectroscopy
Measurement Variables	Temperature : 298.0 K K Puls programme : zgpg30 Number of scans : 1024 Title : Dec07-2022 Date : 20221208 Start time : 21.05 h Instrument : Avance NEO Label : VF-135 ID : 106339 Solvent : chloroform-D1 (CDCl3)

Data-Source Molecule ID	Data-Source
No additional information available for this Dataset.